1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea

C15H11N5O — CID 121264494

IUPAC1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea
SMILESN#Cc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C15H11N5O/c16-7-10-5-6-11(8-17-10)19-15(21)20-14-9-18-13-4-2-1-3-12(13)14/h1-6,8-9,18H,(H2,19,20,21)
InChIKeyMTEHBCYFLOKTIS-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.08
Rot. Bonds2

About 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea

1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea (PubChem CID 121264494) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea
PubChem CID121264494
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea
SMILESN#Cc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C15H11N5O/c16-7-10-5-6-11(8-17-10)19-15(21)20-14-9-18-13-4-2-1-3-12(13)14/h1-6,8-9,18H,(H2,19,20,21)
InChIKeyMTEHBCYFLOKTIS-UHFFFAOYSA-N
XLogP3.08
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
CID 7616079
1H-indol-3-ylcarbamic acid
CID 66672709
5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile
CID 146879070
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide
CID 115174941
1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea
CID 18582270
1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea
CID 10336896
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
1-[4-[(2-cyanophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-7-yl]-3-(1H-indol-3-yl)urea
CID 167463830

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea (CID 121264494) is 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea is N#Cc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cn1.
What is the InChIKey of 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea?
The InChIKey is MTEHBCYFLOKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c16-7-10-5-6-11(8-17-10)19-15(21)20-14-9-18-13-4-2-1-3-12(13)14/h1-6,8-9,18H,(H2,19,20,21).
What are the key properties of 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea?
1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea has a molecular weight of 277.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 121264494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).